2-[(2-butan-2-yl-5-propan-2-ylpiperazin-1-yl)methyl]pyrimidine

C16H28N4 — CID 64840780

IUPAC2-[(2-butan-2-yl-5-propan-2-ylpiperazin-1-yl)methyl]pyrimidine
SMILESCCC(C)C1CNC(C(C)C)CN1Cc1ncccn1
InChIInChI=1S/C16H28N4/c1-5-13(4)15-9-19-14(12(2)3)10-20(15)11-16-17-7-6-8-18-16/h6-8,12-15,19H,5,9-11H2,1-4H3
InChIKeyGDPGPNWJXLRVAS-UHFFFAOYSA-N
MW276.43 g/mol
LogP2.32
Rot. Bonds5

About 2-[(2-butan-2-yl-5-propan-2-ylpiperazin-1-yl)methyl]pyrimidine

2-[(2-butan-2-yl-5-propan-2-ylpiperazin-1-yl)methyl]pyrimidine (PubChem CID 64840780) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 2-[(2-butan-2-yl-5-propan-2-ylpiperazin-1-yl)methyl]pyrimidine.

Molecular Properties

Compound Name2-[(2-butan-2-yl-5-propan-2-ylpiperazin-1-yl)methyl]pyrimidine
PubChem CID64840780
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name2-[(2-butan-2-yl-5-propan-2-ylpiperazin-1-yl)methyl]pyrimidine
SMILESCCC(C)C1CNC(C(C)C)CN1Cc1ncccn1
InChIInChI=1S/C16H28N4/c1-5-13(4)15-9-19-14(12(2)3)10-20(15)11-16-17-7-6-8-18-16/h6-8,12-15,19H,5,9-11H2,1-4H3
InChIKeyGDPGPNWJXLRVAS-UHFFFAOYSA-N
XLogP2.32
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-butan-2-yl-5-propan-2-ylpiperazin-1-yl)methyl]pyrimidine?
The IUPAC name of 2-[(2-butan-2-yl-5-propan-2-ylpiperazin-1-yl)methyl]pyrimidine (CID 64840780) is 2-[(2-butan-2-yl-5-propan-2-ylpiperazin-1-yl)methyl]pyrimidine.
What is the SMILES notation for 2-[(2-butan-2-yl-5-propan-2-ylpiperazin-1-yl)methyl]pyrimidine?
The canonical SMILES for 2-[(2-butan-2-yl-5-propan-2-ylpiperazin-1-yl)methyl]pyrimidine is CCC(C)C1CNC(C(C)C)CN1Cc1ncccn1.
What is the InChIKey of 2-[(2-butan-2-yl-5-propan-2-ylpiperazin-1-yl)methyl]pyrimidine?
The InChIKey is GDPGPNWJXLRVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-5-13(4)15-9-19-14(12(2)3)10-20(15)11-16-17-7-6-8-18-16/h6-8,12-15,19H,5,9-11H2,1-4H3.
What are the key properties of 2-[(2-butan-2-yl-5-propan-2-ylpiperazin-1-yl)methyl]pyrimidine?
2-[(2-butan-2-yl-5-propan-2-ylpiperazin-1-yl)methyl]pyrimidine has a molecular weight of 276.43 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-butan-2-yl-5-propan-2-ylpiperazin-1-yl)methyl]pyrimidine is sourced from PubChem (CID 64840780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).